Brief Information of the Compound and Protein
Compound Name
(S)-N-((S)-1-((S)-1-(1-amino-1-oxooctan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-3-(4-hydroxyphenyl)-2-(4-oxo-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-ylamino)butanamido)propanoyl)pyrrolidine-2-carboxamide
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PubChem ID
CID: 44586716
Canonical SMILES
CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
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Compound Formula C52H68N8O13
Compound Structure
Protein Name
Mu-type opioid receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P35372
Gene Name
OPRM1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki = 266 nM
   TI
   LI
   LO
   TS